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Title: The activation of carbon dioxide by niobocene complexes

Miscellaneous ·
OSTI ID:7235780

The reduction of Cp[prime][sub 2]Nb(Cl)R (Cp[prime] = [eta][sup 5]-C[sub 5]H[sub 4]CH[sub 3]) by Na/Hg under one atmosphere of CO[sub 2] produces Cp[prime][sub 2]Nb([eta][sup 2]-CO[sub 2])R (R = CH[sub 2]SiMe[sub 3], CH[sub 2]CMe[sub 3], CH[sub 2]Ph, CH[sub 3]). Thermolysis of Cp [sub 2]Nb([eta][sup 2]-CO[sub 2])R (R = CH[sub 2]SiMe[sub 3], CH[sub 2]CMe[sub 3], CH[sub 2]Ph) in THF at 60[degrees]C (at low concentration for R = CH[sub 2]Ph) resulted in decarbonylation of the complex with first order kinetics to generate the corresponding metal-oxo complexes Cp[prime][sub 2]Nb(O)R. The same process is greatly accelerated photochemically with a quantum yield of 0.17 for R = CH[sub 2]SiMe[sub 3]. At higher concentration, carbonyl complex Cp[prime][sub 2]Nb(CO)Ch[sub 2]Ph is also generated in the thermolysis of Cp[prime][sub 2]Nb([eta][sup 2]-CO[sub 2])CH[sub 2]Ph. In continuing effort to promote migratory insertion of Cp[prime][sub 2]Nb([eta][sup 2]-CO[sub 2])CH[sub 2]SiMe[sub 3], its reactions with of a variety of Lewis acids (LiPF[sub 6], BF[sub 3][center dot]Et[sub 2]O, ZnCl[sub 2], HgCl[sub 2], CdCl[sub 2], and ClSiMe[sub 3]) have been investigated. The interaction of Cp[prime][sub 2]Nb([eta][sup 2]-CO[sub 2])CH[sub 2]SiMe[sub 3] with several Lewis acids resulted in its facile decarbonylation. The carbonyl complexes Cp[prime][sub 2]Nb(CO)R (R = CH[sub 2]SiMe[sub 3], CH[sub 2]CMe[sub 3], CH[sub 2]Ph, CH[sub 3]) reacted cleanly and quantitatively with molecular oxygen under ambient conditions to produce the corresponding CO[sub 2] complexes, Cp[prime][sub 2]Nb([eta][sup 2]-CO[sub 2])R, in high yield. The interaction of Cp[prime][sub 2]Nb(CO)H with O[sub 2] generates a novel formato complex. The reaction of Cp[prime][sub 2]Nb(CO)CH[sub 2]SiMe[sub 3] with elemental sulfur (S[sub 8]) gives a carbonyl sulfide complex Cp[prime][sub 2]Nb([eta][sup 2]-CSO) CH[sub 2]SiMe[sub 3], whose structure has been established crystallographically.

Research Organization:
Oklahoma Univ., Norman, OK (United States)
OSTI ID:
7235780
Resource Relation:
Other Information: Thesis (Ph.D.)
Country of Publication:
United States
Language:
English